1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea

C11H18N4S — CID 116507643

IUPAC1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
SMILESS=C(NCCn1cccn1)NC1CCCC1
InChIInChI=1S/C11H18N4S/c16-11(14-10-4-1-2-5-10)12-7-9-15-8-3-6-13-15/h3,6,8,10H,1-2,4-5,7,9H2,(H2,12,14,16)
InChIKeyQSLMKXFLADTJRA-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.29
Rot. Bonds4

About 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea

1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea (PubChem CID 116507643) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
PubChem CID116507643
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
SMILESS=C(NCCn1cccn1)NC1CCCC1
InChIInChI=1S/C11H18N4S/c16-11(14-10-4-1-2-5-10)12-7-9-15-8-3-6-13-15/h3,6,8,10H,1-2,4-5,7,9H2,(H2,12,14,16)
InChIKeyQSLMKXFLADTJRA-UHFFFAOYSA-N
XLogP1.29
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(pyrrolidin-2-ylmethyl)-1H-pyrazole
CID 25220770
3-(1H-pyrazol-1-yl)cyclopentan-1-amine
CID 59486116
(Cyclopentylamino){[(1-ethylpyrazol-4-yl)methyl]amino}methane-1-thione
CID 970679
N-(1-pyrazol-1-ylpropan-2-yl)heptan-2-amine
CID 43749203
1-cyclopentyl-3-(1-methyl-1H-pyrazol-3-yl)thiourea
CID 971526
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 42576290
1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole
CID 42576293
N-(2-pyrazol-1-ylethyl)cyclohexanamine
CID 61071106
trans-(1R,3R)-3-pyrazol-1-ylcyclopentan-1-amine
CID 67135040
trans-3-(1H-pyrazol-1-yl)cyclopentylamine
CID 67135041
(2S)-N-ethyl-2-pyrazol-1-ylbutan-1-amine
CID 68089942
5-Pyrazol-1-ylpentane-1,2-diamine
CID 69520907

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea (CID 116507643) is 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea is S=C(NCCn1cccn1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea?
The InChIKey is QSLMKXFLADTJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c16-11(14-10-4-1-2-5-10)12-7-9-15-8-3-6-13-15/h3,6,8,10H,1-2,4-5,7,9H2,(H2,12,14,16).
What are the key properties of 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea?
1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea has a molecular weight of 238.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea is sourced from PubChem (CID 116507643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).